5X5O
Crystal structure of ZAK in complex with compound D2829
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | CMOS |
Collection date | 2017-01-14 |
Detector | DECTRIS PILATUS 300K |
Wavelength(s) | 0.97852 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 131.057, 48.501, 42.625 |
Unit cell angles | 90.00, 105.48, 90.00 |
Refinement procedure
Resolution | 45.277 - 1.868 |
R-factor | 0.1918 |
Rwork | 0.190 |
R-free | 0.22640 |
RMSD bond length | 0.008 |
RMSD bond angle | 0.942 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHASER |
Refinement software | PHENIX ((1.10.1_2155)) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 50.000 |
High resolution limit [Å] | 1.870 |
Number of reflections | 20966 |
<I/σ(I)> | 18 |
Completeness [%] | 97.2 |
Redundancy | 10.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 0.2 M Trimethylamine N-oxide dehydrate, 0.1 M Tris, 20% w/v Polyethylene glycol monomethyl ether 2000, pH8.5 |